SCHEMBL3030149

SCHEMBL3030149

CC(C)([O])Cc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.56
IDO1 P14902 8/20 0.50
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 4/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PYCR1 P32322 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6886022 0.83 GGPS1 (0.55) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL19223473 0.80 IDO1 (0.55) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL3030151 0.80 GGPS1 (0.56) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL19308329 0.78 GGPS1 (0.50) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL10470120 0.78 GGPS1 (0.54) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL6005627 0.78 GGPS1 (0.54) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL14044302 0.77 IDO1 (0.52) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL11361556 0.77 GGPS1 (0.56) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL155790 0.76 IDO1 (0.60) GGPS1IDO1CYP3A4MAPK1CYP1A2
SCHEMBL18097876 0.74 CYP3A4 (0.55) GGPS1IDO1CYP3A4MAPK1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 GGPS1 3198/4885IDO1 247/4885CYP3A4 144/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 GGPS1 4605/4885IDO1 1514/4885CYP3A4 2795/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 GGPS1 4534/4885IDO1 974/4885CYP3A4 2585/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GGPS1 2017/4885IDO1 495/4885CYP3A4 910/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GGPS1 4048/4885IDO1 279/4885CYP3A4 236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.